2-amino-2-[2-(2-methylphenyl)-1,3-thiazol-4-yl]acetic acid

C12H12N2O2S — CID 104527015

IUPAC2-amino-2-[2-(2-methylphenyl)-1,3-thiazol-4-yl]acetic acid
SMILESCc1ccccc1-c1nc(C(N)C(=O)O)cs1
InChIInChI=1S/C12H12N2O2S/c1-7-4-2-3-5-8(7)11-14-9(6-17-11)10(13)12(15)16/h2-6,10H,13H2,1H3,(H,15,16)
InChIKeyWYGRAPHFLRTTKR-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.20
Rot. Bonds3

About 2-amino-2-[2-(2-methylphenyl)-1,3-thiazol-4-yl]acetic acid

2-amino-2-[2-(2-methylphenyl)-1,3-thiazol-4-yl]acetic acid (PubChem CID 104527015) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 2-amino-2-[2-(2-methylphenyl)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[2-(2-methylphenyl)-1,3-thiazol-4-yl]acetic acid
PubChem CID104527015
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name2-amino-2-[2-(2-methylphenyl)-1,3-thiazol-4-yl]acetic acid
SMILESCc1ccccc1-c1nc(C(N)C(=O)O)cs1
InChIInChI=1S/C12H12N2O2S/c1-7-4-2-3-5-8(7)11-14-9(6-17-11)10(13)12(15)16/h2-6,10H,13H2,1H3,(H,15,16)
InChIKeyWYGRAPHFLRTTKR-UHFFFAOYSA-N
XLogP2.20
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-(2-methylphenyl)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-amino-2-[2-(2-methylphenyl)-1,3-thiazol-4-yl]acetic acid (CID 104527015) is 2-amino-2-[2-(2-methylphenyl)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-amino-2-[2-(2-methylphenyl)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-amino-2-[2-(2-methylphenyl)-1,3-thiazol-4-yl]acetic acid is Cc1ccccc1-c1nc(C(N)C(=O)O)cs1.
What is the InChIKey of 2-amino-2-[2-(2-methylphenyl)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is WYGRAPHFLRTTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-7-4-2-3-5-8(7)11-14-9(6-17-11)10(13)12(15)16/h2-6,10H,13H2,1H3,(H,15,16).
What are the key properties of 2-amino-2-[2-(2-methylphenyl)-1,3-thiazol-4-yl]acetic acid?
2-amino-2-[2-(2-methylphenyl)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 248.31 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[2-(2-methylphenyl)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 104527015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).